Averaging of pseudoresonant T-matrix elements

Published: 1 January 1993| Version 1 | DOI: 10.17632/cmc2vjwvz9.1
T.T. Scholz


Abstract A program designed to average over pseudoresonances and produce a physically accurate T-matrix element is presented. The pseudoresonant matrix element arises in variational calculations of intermediate energy electron and positron scattering by atoms and molecules. Only their averaged values have physical meaning. The program first removes the dominant pseudoresonant structure by convolution with a Lorentzian and then performs a least squares cubic spline fit to generate the physically smooth... Title of program: AVTMAT Catalogue Id: ACLH_v1_0 Nature of problem The extraction of the physically smooth T-matrix element from the unphysical pseudoresonant element resulting from an intermediate energy scattering calculation which includes L^2 functions in the modelling of the scattering wavefunction. Versions of this program held in the CPC repository in Mendeley Data ACLH_v1_0; AVTMAT; 10.1016/0010-4655(93)90096-U This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Atomic Physics, Physical Chemistry, Molecular Physics, Computational Physics